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Compound Detail

CHEMBL56958

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CCN(CC)CCCNc1ncc2cc(-c3c(Br)cccc3Br)c(N)nc2n1

Basic Information

ChEMBL ID CHEMBL56958
Phase Preclinical
Structure Type MOL
InChI Key KICNNRAJZZOWST-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

508.3
MW (Da)
4.94
ALogP
6
HBA
2
HBD
80.0
PSA (Ų)
0.42
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24Br2N6
MW 508.26
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.99

Activity Summary

IC50 2 meas. best 6.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL3655
IC50 6.12 6.12 760.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 5.08 5.08 8300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11384237 10.1021/jm0004291 Platelet-derived growth factor receptor beta 1
11384237 10.1021/jm0004291 Fibroblast growth factor receptor 1 1
11384237 10.1021/jm0004291 Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine